data_image0 _chemical_formula_structural PbZrO3CaGeO3CaGeO3PbZrO3 _chemical_formula_sum "Pb2 Zr2 O12 Ca2 Ge2" _cell_length_a 5.707658918390905 _cell_length_b 5.707658918390905 _cell_length_c 8.071848651788168 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb1 1.0 0.9999375485774378 0.9997991260798184 0.9997663737640573 1.0000 Zr Zr1 1.0 0.4999904861883628 0.999986843129231 0.24999627759643456 1.0000 O O1 1.0 0.5001195196536317 0.9999440520167394 0.9895945354941825 1.0000 O O2 1.0 0.23972664431998905 0.2606640296035477 0.250084801705232 1.0000 O O3 1.0 0.23962602248861897 0.7394341744998184 0.25005232057235716 1.0000 Ca Ca1 1.0 0.4997192492395649 0.49983897912037334 0.00039274372825989274 1.0000 Ge Ge1 1.0 0.9999861033226061 0.499989743621466 0.24999557689871965 1.0000 O O4 1.0 0.9998768421241238 0.5000893882867065 0.0103726814379469 1.0000 O O5 1.0 0.7604123806456227 0.7394769696611377 0.2500037645040908 1.0000 O O6 1.0 0.7603711489502826 0.26056204170328917 0.2500521662154342 1.0000 Ca Ca2 1.0 0.9998539262874662 0.9997367838794063 0.5003841183158297 1.0000 Ge Ge2 1.0 0.5003707341422563 0.00032298937421655215 0.7499747600171435 1.0000 O O7 1.0 0.49996631485929677 9.39838673841011e-05 0.5103785044053291 1.0000 O O8 1.0 0.2605474387405459 0.23960492150647988 0.7499948658076702 1.0000 O O9 1.0 0.26260412599414856 0.7599576525685127 0.7501087453557138 1.0000 Pb Pb2 1.0 0.49978550014995293 0.49992717082096605 0.49976220982932146 1.0000 Zr Zr2 1.0 0.00033137570559982343 0.5003098859161897 0.7499344027609409 1.0000 O O10 1.0 7.348799189799138e-05 0.499889345776921 0.4896035953905906 1.0000 O O11 1.0 0.7424811343436549 0.7639981723317679 0.749650090068004 1.0000 O O12 1.0 0.7389805452550353 0.24164589549927618 0.7501079766811618 1.0000